3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one

C18H16O2 — CID 102350354

IUPAC3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
SMILESO=C1C=C(/C=C/C=C/C=C/C=C/c2ccccc2)CO1
InChIInChI=1S/C18H16O2/c19-18-14-17(15-20-18)13-7-4-2-1-3-6-10-16-11-8-5-9-12-16/h1-14H,15H2/b3-1+,4-2+,10-6+,13-7+
InChIKeyQAXVRXCOSLKQGS-IXGNVOGISA-N
MW264.32 g/mol
LogP3.85
Rot. Bonds5

About 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one

3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one (PubChem CID 102350354) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
PubChem CID102350354
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
SMILESO=C1C=C(/C=C/C=C/C=C/C=C/c2ccccc2)CO1
InChIInChI=1S/C18H16O2/c19-18-14-17(15-20-18)13-7-4-2-1-3-6-10-16-11-8-5-9-12-16/h1-14H,15H2/b3-1+,4-2+,10-6+,13-7+
InChIKeyQAXVRXCOSLKQGS-IXGNVOGISA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one?
The IUPAC name of 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one (CID 102350354) is 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one?
The canonical SMILES for 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one is O=C1C=C(/C=C/C=C/C=C/C=C/c2ccccc2)CO1.
What is the InChIKey of 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one?
The InChIKey is QAXVRXCOSLKQGS-IXGNVOGISA-N. The full InChI is InChI=1S/C18H16O2/c19-18-14-17(15-20-18)13-7-4-2-1-3-6-10-16-11-8-5-9-12-16/h1-14H,15H2/b3-1+,4-2+,10-6+,13-7+.
What are the key properties of 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one?
3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one has a molecular weight of 264.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one is sourced from PubChem (CID 102350354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).